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190334-37-3 | Benzoic acid, 4-(acetylamino)-3,5-bis[(aminoiminomethyl)amino]-
CAS No: 190334-37-3 Catalog No: AG002EHC MDL No:
Product Description
Catalog Number:
AG002EHC
Chemical Name:
Benzoic acid, 4-(acetylamino)-3,5-bis[(aminoiminomethyl)amino]-
CAS Number:
190334-37-3
Molecular Formula:
C11H15N7O3
Molecular Weight:
293.2819
IUPAC Name:
4-acetamido-3,5-bis(hydrazinylmethylideneamino)benzoic acid
InChI:
InChI=1S/C11H15N7O3/c1-6(19)18-10-8(14-4-16-12)2-7(11(20)21)3-9(10)15-5-17-13/h2-5H,12-13H2,1H3,(H,14,16)(H,15,17)(H,18,19)(H,20,21)
InChI Key:
CRCXGUIVBYYTMX-UHFFFAOYSA-N
SMILES:
NN=CNc1cc(cc(c1NC(=O)C)NC=NN)C(=O)O
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.124g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
293.287g/mol
Monoisotopic Mass:
293.124g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
167A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.2
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